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[热点] 面上基金申报没有其他的参与者成吗 默默的小虫子 2026-02-07 刚刚
[Gaussian] [已完结]gaussian优化l103错误求助 (3/3394) play900325 2013-09-26 2013-09-27 17:23:32 by yypcnbe
[Gaussian] [已完结]如何手工绘制C20    ( 1 2 ) (13/1331) daiyang 2013-09-22 2013-09-26 19:16:18 by daiyang
[Gaussian] [已完结][关贴]Gaussian求助：如何写 频率/光谱计算 FCHT选项 的输入文件 (4/1451) 枪下游魂 2013-09-24 2013-09-26 09:06:46 by 枪下游魂
[Gaussian] [已完结]菜鸟求助 (4/372) lv小孩 2013-09-24 2013-09-25 19:32:20 by lv小孩
[Gaussian] [已完结]gaussian interface应用问题 (0/797) 醉逍遥msn 2013-09-25 2013-09-25 16:16:15 by 醉逍遥msn
[Gaussian] [已完结]如何在G03中模拟roman光谱 (7/836) 钻石糖颗粒 2013-09-25 2013-09-25 14:47:54 by 钻石糖颗粒
[Gaussian] [已完结]高斯优化，两个很小的虚频总去不了，大神们帮帮忙啦 (6/1107) 小麦mavis 2013-09-23 2013-09-25 10:22:16 by liqiang
[Gaussian] 【求助】自然轨道有关问题pop=NTO (9/2004) 越走越远 2010-08-01 2013-09-25 08:06:26 by ter20
[Gaussian] [已完结]出现这个错误怎样解决？ (6/1599) 小热胖胖 2013-09-22 2013-09-25 03:41:21 by agent99
[Gaussian] [已完结]求一个linux gaussianview (1/265) lipengfei0 2013-09-23 2013-09-23 21:00:37 by yongma2008
[Gaussian] [已完结]不同体系比较结合能大小，能否说谁更稳定 (4/1045) 蠢蠢欲动 2013-09-22 2013-09-23 18:33:40 by 小蜗牛8728
[Gaussian] [已完结]gaussian view 打开优化结果时出现loading log file，电脑再无相应是什么原因？ (2/366) xuemeng111 2013-09-23 2013-09-23 18:25:56 by 小蜗牛8728
[Gaussian] [已完结]团簇吸附氢分子的吸附能居然是正的？    ( 1 2 3 4 ) (36/2442) skywyy2011 2013-09-22 2013-09-22 21:36:13 by 卡开发发
[Gaussian] [已完结][求助]请教如何提高优化效率？ (0/233) hlq3175 2013-09-22 2013-09-22 21:23:05 by hlq3175
[Gaussian] 【求助】Gaussian优化和频率计算结果出现虚频怎么办呢？ (12/4175) freesea 2010-11-30 2013-09-22 19:26:44 by caoyangli7
[Gaussian] [已完结]EmpiricalDispersion=GD2 (2/827) jw227 2013-09-20 2013-09-22 14:26:28 by jw227
[Gaussian] [已完结]过渡态 (3/528) lmingshu 2013-09-13 2013-09-22 09:42:27 by jihua_nihao
[Gaussian] [已完结]菜鸟求助 (6/601) xllifan 2013-09-17 2013-09-19 11:00:14 by yongma2008
[Gaussian] [已完结]Gaussian MP2计算单点能报错    ( 1 2 ) (10/1785) yang198892 2013-05-14 2013-09-18 19:55:44 by anmin0127
[Gaussian] [已完结]Gaussion 加水进行优化计算出错，求高手帮忙看看啊，感激不尽 (2/700) fight1man 2012-10-24 2013-09-18 16:59:49 by 29050801
[Gaussian] [已完结]请问Gaussian计算frequency出现下面的问题，如何解决？    ( 1 2 ) (11/3006) 萱月琪琪 2012-11-22 2013-09-18 14:09:05 by 萱月琪琪
[Gaussian] [讨论] sp2杂化与sp3杂化的电子布居问题 (2/733) forestwolf9291 2013-09-15 2013-09-17 21:21:42 by forestwolf9291
[Gaussian] [已完结]哪位有g98的例子？ (7/1045) luomingjian 2011-05-29 2013-09-17 17:36:58 by lorlee
[Gaussian] [已完结]请教计算hyperconjugation计算的问题。 (3/557) 312080310 2013-09-13 2013-09-17 14:52:01 by forestwolf9291
[Gaussian] [已完结][关贴]怎么用CASSCF计算自旋轨道耦合能 (0/843) 左边_在左边 2013-09-17 2013-09-17 14:09:11 by 左边_在左边
[Gaussian] [已完结]求助：高斯09计算中，频率优化出现问题 (1/744) fubest 2013-09-17 2013-09-17 13:48:58 by Voland
[Gaussian] [已完结]【求助】请教用高斯09算溶剂化单点时，怎样得到溶剂中的Gibbs自由能？ (9/4317) liweiyi123456 2011-06-30 2013-09-17 13:45:26 by yulin9988
[Gaussian] [已完结]求Gaussian09软件及serial number，请各位大神出手相助！！！ (9/3070) ljc050512 2013-09-15 2013-09-17 12:10:35 by bb00729
[Gaussian] 关于gaussian中压力的设置是哪里的 (0/274) traoxin 2013-09-16 2013-09-16 16:11:15 by traoxin
[Gaussian] [已完结]EPT算单点能，结果没出来能量 (8/1249) luckone2013 2013-09-04 2013-09-16 13:21:37 by luckone2013
[Gaussian] Consistency failure #1 in Separa. 的L301错误是怎么回事？ (0/1262) dkstatsra 2013-09-13 2013-09-16 11:07:48 by dkstatsra
[Gaussian] [已完结]高斯中怎么样设置对称性进行优化 (2/1907) shasha87 2013-09-13 2013-09-15 20:09:16 by dreamyeye
[Gaussian] [关贴]现在刚刚接触Gaussian，有没有什么好的入门书籍呢？ (5/1320) 张100730227 2013-09-09 2013-09-14 10:23:04 by yjcmwgk
[Gaussian] [已完结]求助哪位有TZVP基组，感谢 (1/753) 量化游击队 2013-09-12 2013-09-12 20:15:25 by yypcnbe
[Gaussian] 求高人指点关于前线分子轨道的问题 (0/245) 顺自然 2013-09-12 2013-09-12 19:45:36 by 顺自然
[Gaussian] [已完结]怎么用gview建如图包合过程 (4/718) wylzlp27 2013-09-11 2013-09-12 15:09:22 by wylzlp27
[Gaussian] [已完结]DFT方法与MP2方法的计算结果不同要怎么处理呢？ (2/802) liangyh 2013-05-07 2013-09-12 12:01:11 by yongma2008
[Gaussian] [已完结]高斯中固定二面角作优化 (4/2721) tangjia16888 2013-09-11 2013-09-12 10:15:54 by bittersmile
[Gaussian] [已完结]高斯计算中固定部分角度作优化    ( 1 2 ) (10/3288) tangjia16888 2013-09-09 2013-09-12 09:36:45 by tangjia16888
[Gaussian] [已完结]请问。。 (3/334) 1075460936 2013-09-11 2013-09-11 20:09:02 by zhou2009
[Gaussian] [已完结]gaussian可以计算多个分子的红外光谱吗 (5/1586) 飞天熊 2013-05-02 2013-09-11 16:26:06 by 张宇琴
[Gaussian] 频率计算无虚频，但是后两个不收敛，结构可用吗 (8/1358) 蠢蠢欲动 2013-03-23 2013-09-11 15:01:28 by 强龙12399
[Gaussian] [已完结]SSH下G09计算出现错误，新手求解救！如图，希望大神们帮帮忙 (3/580) 爱直至成殇 2013-08-19 2013-09-10 13:44:32 by 爱直至成殇
[Gaussian] [关贴]【求助】计算出错：Error termination request processed by link 9999. (9/2854) xmzhong 2011-02-18 2013-09-10 11:48:38 by fred_lee
[Gaussian] [已完结]高斯优化中怎样固定内坐标 (2/2318) shasha87 2013-09-07 2013-09-10 09:17:52 by shasha87
[Gaussian] [已完结]寻找过渡态出现L9999 (1/884) 晨曦2009127 2013-09-07 2013-09-09 17:20:01 by ZZU2011
[Gaussian] [已完结]SDD基组的全拼有知道的不 (1/1601) zhoulm338 2013-09-09 2013-09-09 12:56:02 by LinaInverse
[Gaussian] [已完结]求助。。。 (评阅-2) (6/770) 1075460936 2013-09-08 2013-09-09 11:47:38 by 1075460936
[Gaussian] 学校买了gaussian09, 我若用g03的发文章，算侵权么？ (7/1667) 夏天的娃 2013-07-03 2013-09-09 06:05:51 by ksgbuct
[Gaussian] [已完结]gaussian不同半经验优化得到的能量相差较大 (4/1757) 29050801 2013-09-06 2013-09-08 16:59:37 by 29050801
[Gaussian] 【求助】求GaussView5.0.8的使用手册！！！！！！！！！ (5/2433) haiyanzou 2010-12-16 2013-09-08 09:26:33 by czyzsu
[Gaussian] [已完结]求助一个氧化石墨烯的结构，类型不限，我用GAUSS计算 (1/502) wucx1234 2013-07-04 2013-09-08 06:39:29 by 小赵9999
[Gaussian] [已完结]高斯中Tl+(H2O)3(一价Tl离子周围有三个水）优化了l101错误 (3/599) shasha87 2013-09-06 2013-09-07 11:09:42 by shasha87
[Gaussian] 分享一个绝对奇葩的opt过程 (8/1631) yjcmwgk 2013-09-04 2013-09-07 10:20:48 by xyz7819227
[Gaussian] [已完结]关于binding energy的疑问 (7/2206) vikkihe 2013-08-30 2013-09-07 10:01:36 by jiangyushuai
[Gaussian] [已完结]gaussian 9999无法解决,急切求助 (6/1547) haoguoyu 2013-08-30 2013-09-06 21:25:04 by 29050801
[Gaussian] [已完结]团簇表面掺杂Li，几何优化，出现错误？请大侠指教 (7/809) ligesi 2013-09-03 2013-09-06 17:55:49 by ligesi
[Gaussian] [已完结]激发态电子密度差 (2/814) kuyen 2013-09-05 2013-09-06 13:47:17 by sobereva
[Gaussian] [已完结]高斯计算过渡态 (0/925) zjx187 2013-09-05 2013-09-05 18:13:49 by zjx187
[Gaussian] [已完结]求助在MOF材料表面掺杂Li离子，寻找Li离子在MOF材料表面能量最低点 (5/685) ligesi 2013-09-02 2013-09-05 14:43:59 by ligesi
[Gaussian] [已完结]No func 3rd derivs with HSE 错误 (1/1727) lplunanjing 2013-09-03 2013-09-05 12:27:21 by pwzhou
[Gaussian] [已完结]cc-pvdz-pp基集的使用 (7/2038) shasha87 2013-09-04 2013-09-05 11:57:47 by shasha87
[Gaussian] [已完结][关贴]HgCl2分子在高斯03中优化的输入文件怎么写？ (0/289) shasha87 2013-09-04 2013-09-04 23:33:03 by shasha87
[Gaussian] [已完结]高斯计算出现原子与原子之间距离很近，有堆叠一起的现象 (4/1970) panxx2012 2013-09-04 2013-09-04 20:50:30 by panxx2012
[Gaussian] [已完结]高斯优化 (9/901) zjx187 2013-09-02 2013-09-04 17:03:18 by zjx187
[Gaussian] 用 Gaussian03W算得的Mulliken atomic charge能起什么作用？ (0/464) lazake 2013-09-04 2013-09-04 12:14:40 by lazake
[Gaussian] 【求助】关于自旋污染的问题 (7/1157) caozf 2010-10-18 2013-09-04 11:20:36 by lilachi
[Gaussian] [已完结]过渡态能量的计算和可能机理问题 (0/421) lzt870614 2013-08-27 2013-09-04 09:30:27 by lzt870614
[Gaussian] mp2/aug-cc-pvtz(-f)如何输入？ (6/1488) glai8818 2013-09-02 2013-09-03 21:48:54 by mscic
[Gaussian] "x imaginary frequencies ignored" (0/697) x628 2013-09-03 2013-09-03 19:11:48 by x628
[Gaussian] [已完结]求一物质的HOMO计算！！ (3/772) zps1986 2013-09-01 2013-09-03 16:40:31 by 大雪微蓝
[Gaussian] [已完结]mp2优化出现I801错误 (3/611) 小麦mavis 2013-08-31 2013-09-02 17:21:12 by dreamyeye
[Gaussian] 【求助】Gauss09的临时文件超过16G该怎么办 (3/1033) kaluoyi2008 2013-08-18 2013-09-02 10:45:17 by klaus1987
[Gaussian] [已完结]DFT 方法质子化焓的计算    ( 1 2 ) (评阅-5) (10/2272) x7511413 2011-05-13 2013-09-01 08:33:45 by Sunshine_1
[Gaussian] [已完结][关贴]生成焓的计算 (2/6044) 156128305 2013-08-29 2013-08-31 23:00:47 by yypcnbe
[Gaussian] [已完结]用DPF CAM-B3LYP方法计算极化率的输入文件要怎么写 (5/1677) 782582076 2013-08-30 2013-08-30 20:44:05 by 782582076
[Gaussian] [已完结]gaussian09 怎么看自旋污染 (3/2036) dreamyeye 2012-03-02 2013-08-30 19:23:11 by 梦影无痕
[Gaussian] [已完结]请问各位专家如下审稿意见怎么回复？谢谢 (2/451) huangry2006 2013-08-26 2013-08-29 18:38:01 by 小蜗牛8728
[Gaussian] [已完结]计算resp电荷+结构优化出现2070在L9999的错误信息，该怎么办？ (4/1808) sydtyx 2013-07-08 2013-08-29 15:42:47 by lyamz219109
[Gaussian] [已完结]激发态 激发能的问题 (3/486) 铁甲威虫 2012-10-23 2013-08-29 12:25:21 by sdjisuan
[Gaussian] gaussian 使用win版的笔记本能直接提交到linux服务器吗，怎么提交，求答案 (16/1162) zy54382 2013-08-26 2013-08-28 14:53:33 by 东子--
[Gaussian] gaussian小白求助 (0/213) hexin111 2013-08-28 2013-08-28 10:12:22 by hexin111
[Gaussian] [已完结]GV无法读取out文件时怎么回事？ (4/570) 白发魔女 2013-08-25 2013-08-27 20:21:06 by 白发魔女
[Gaussian] [关贴]【求助】Chem3D11.0 Gaussian能量最小化输出出错不是中文目录问题 (3/948) zhenguo86 2011-02-20 2013-08-27 14:31:23 by 大哏林
[Gaussian] [已完结]需03高斯 (2/324) tsljs 2013-08-27 2013-08-27 11:26:13 by chr0247
[Gaussian] [已完结]利用Gaussian计算速率系数 (1/733) wangsihang 2013-08-25 2013-08-26 12:29:38 by zhongshidaxt
[Gaussian] [已完结]跑IRC，我设置forward跑60个点，为啥只跑了50个点就停了？ (2/871) skywyy2011 2013-08-25 2013-08-26 11:55:30 by skywyy2011
[Gaussian] [已完结]优化出错 Error termination via Lnk1e in /root/g03/l202 (2/1532) lxhlxh052c 2012-10-30 2013-08-26 06:41:00 by lilachi
[Gaussian] [已完结]g09频率续算l1错误 (3/588) 蠢蠢欲动 2013-08-24 2013-08-25 07:50:42 by hairan
[Gaussian] [已完结]过渡态 (4/707) 兔子lizzy 2013-08-22 2013-08-25 07:41:11 by 飞行鸟
[Gaussian] [已完结]用高斯怎么得到下图中激发态的所有信息（主要是具体的轨道能级数值） (3/1340) huibinsun 2013-08-20 2013-08-24 16:02:00 by 迷茫的小飞侠
[Gaussian] [已完结]利用TDDFT在优化基础上做激发态性质计算，得到的激发态能级是怎么来的。 (5/1769) moonvampire1 2013-08-20 2013-08-24 11:15:28 by zhuyunfy
[Gaussian] 【分享】频率校正因子    ( 1 2 ) (评阅+3) (13/1716) sjzxbe 2010-08-18 2013-08-24 06:20:13 by ZJboy
[Gaussian] [已完结]gaussian能量优化这种图怎么得到的呢 (2/670) 29050801 2013-08-22 2013-08-23 10:14:03 by 29050801
[Gaussian] [已完结]Gaussian能否扫描偶极矩？    ( 1 2 ) (10/1153) calebby 2013-08-19 2013-08-22 21:43:52 by sobereva
[Gaussian] [已完结]控制轨道和坐标 (1/309) sujialing 2013-08-21 2013-08-21 17:38:16 by sujialing
[Gaussian] [已完结][关贴]关于二面角同步逐步计算的问题 (3/375) gzhbingren 2013-08-20 2013-08-21 08:54:00 by stevenabing
[Gaussian] [已完结]什么是自由基反应的 roaming transition state (0/382) t13340033021 2013-08-20 2013-08-20 16:52:01 by t13340033021
[Gaussian] [已完结]MC-QCISD双水平校正能量，计算不出来，总出现l804错误，急急急！ (0/185) ping_liu 2013-08-20 2013-08-20 16:15:12 by ping_liu
[Gaussian] [已完结]pdb文件在高斯中打开有问题 (2/1449) pq33714 2013-08-19 2013-08-20 11:00:46 by pq33714
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